CID 211308

22833-34-7

Structural Information

Molecular Formula
C18H17N3OS
SMILES
CCN(CC1C(=O)N2C3=CC=CC=C3N=C2S1)C4=CC=CC=C4
InChI
InChI=1S/C18H17N3OS/c1-2-20(13-8-4-3-5-9-13)12-16-17(22)21-15-11-7-6-10-14(15)19-18(21)23-16/h3-11,16H,2,12H2,1H3
InChIKey
JWQUXNHNKMJRLW-UHFFFAOYSA-N
Compound name
2-[(N-ethylanilino)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.10922 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.11650 174.6
[M+Na]+ 346.09844 185.2
[M-H]- 322.10194 183.1
[M+NH4]+ 341.14304 193.2
[M+K]+ 362.07238 180.3
[M+H-H2O]+ 306.10648 167.2
[M+HCOO]- 368.10742 193.5
[M+CH3COO]- 382.12307 187.0
[M+Na-2H]- 344.08389 176.1
[M]+ 323.10867 180.8
[M]- 323.10977 180.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.